579 related articles for article (PubMed ID: 29309725)
1. K
Jiménez J; Škalič M; Martínez-Rosell G; De Fabritiis G
J Chem Inf Model; 2018 Feb; 58(2):287-296. PubMed ID: 29309725
[TBL] [Abstract][Full Text] [Related]
2. A Comparative Assessment of Predictive Accuracies of Conventional and Machine Learning Scoring Functions for Protein-Ligand Binding Affinity Prediction.
Ashtawy HM; Mahapatra NR
IEEE/ACM Trans Comput Biol Bioinform; 2015; 12(2):335-47. PubMed ID: 26357221
[TBL] [Abstract][Full Text] [Related]
3. BgN-Score and BsN-Score: bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes.
Ashtawy HM; Mahapatra NR
BMC Bioinformatics; 2015; 16 Suppl 4(Suppl 4):S8. PubMed ID: 25734685
[TBL] [Abstract][Full Text] [Related]
4. Machine learning in computational docking.
Khamis MA; Gomaa W; Ahmed WF
Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
[TBL] [Abstract][Full Text] [Related]
5. A New Hybrid Neural Network Deep Learning Method for Protein-Ligand Binding Affinity Prediction and De Novo Drug Design.
Limbu S; Dakshanamurthy S
Int J Mol Sci; 2022 Nov; 23(22):. PubMed ID: 36430386
[TBL] [Abstract][Full Text] [Related]
6. Predicting protein-ligand binding residues with deep convolutional neural networks.
Cui Y; Dong Q; Hong D; Wang X
BMC Bioinformatics; 2019 Feb; 20(1):93. PubMed ID: 30808287
[TBL] [Abstract][Full Text] [Related]
7. AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.
Kwon Y; Shin WH; Ko J; Lee J
Int J Mol Sci; 2020 Nov; 21(22):. PubMed ID: 33182567
[TBL] [Abstract][Full Text] [Related]
8. Task-Specific Scoring Functions for Predicting Ligand Binding Poses and Affinity and for Screening Enrichment.
Ashtawy HM; Mahapatra NR
J Chem Inf Model; 2018 Jan; 58(1):119-133. PubMed ID: 29190087
[TBL] [Abstract][Full Text] [Related]
9. Deep Learning in Drug Design: Protein-Ligand Binding Affinity Prediction.
Rezaei MA; Li Y; Wu D; Li X; Li C
IEEE/ACM Trans Comput Biol Bioinform; 2022; 19(1):407-417. PubMed ID: 33360998
[TBL] [Abstract][Full Text] [Related]
10. A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking.
Ballester PJ; Mitchell JB
Bioinformatics; 2010 May; 26(9):1169-75. PubMed ID: 20236947
[TBL] [Abstract][Full Text] [Related]
11. Visualizing convolutional neural network protein-ligand scoring.
Hochuli J; Helbling A; Skaist T; Ragoza M; Koes DR
J Mol Graph Model; 2018 Sep; 84():96-108. PubMed ID: 29940506
[TBL] [Abstract][Full Text] [Related]
12. A comparative assessment of ranking accuracies of conventional and machine-learning-based scoring functions for protein-ligand binding affinity prediction.
Ashtawy HM; Mahapatra NR
IEEE/ACM Trans Comput Biol Bioinform; 2012; 9(5):1301-13. PubMed ID: 22411892
[TBL] [Abstract][Full Text] [Related]
13. PlayMolecule Glimpse: Understanding Protein-Ligand Property Predictions with Interpretable Neural Networks.
Varela-Rial A; Maryanow I; Majewski M; Doerr S; Schapin N; Jiménez-Luna J; De Fabritiis G
J Chem Inf Model; 2022 Jan; 62(2):225-231. PubMed ID: 34978201
[TBL] [Abstract][Full Text] [Related]
14. PlayMolecule BindScope: large scale CNN-based virtual screening on the web.
Skalic M; Martínez-Rosell G; Jiménez J; De Fabritiis G
Bioinformatics; 2019 Apr; 35(7):1237-1238. PubMed ID: 30169549
[TBL] [Abstract][Full Text] [Related]
15. Sfcnn: a novel scoring function based on 3D convolutional neural network for accurate and stable protein-ligand affinity prediction.
Wang Y; Wei Z; Xi L
BMC Bioinformatics; 2022 Jun; 23(1):222. PubMed ID: 35676617
[TBL] [Abstract][Full Text] [Related]
16. LigVoxel: inpainting binding pockets using 3D-convolutional neural networks.
Skalic M; Varela-Rial A; Jiménez J; Martínez-Rosell G; De Fabritiis G
Bioinformatics; 2019 Jan; 35(2):243-250. PubMed ID: 29982392
[TBL] [Abstract][Full Text] [Related]
17. CScore: a simple yet effective scoring function for protein-ligand binding affinity prediction using modified CMAC learning architecture.
Ouyang X; Handoko SD; Kwoh CK
J Bioinform Comput Biol; 2011 Dec; 9 Suppl 1():1-14. PubMed ID: 22144250
[TBL] [Abstract][Full Text] [Related]
18. DLSSAffinity: protein-ligand binding affinity prediction
Wang H; Liu H; Ning S; Zeng C; Zhao Y
Phys Chem Chem Phys; 2022 May; 24(17):10124-10133. PubMed ID: 35416807
[TBL] [Abstract][Full Text] [Related]
19. A D3R prospective evaluation of machine learning for protein-ligand scoring.
Sunseri J; Ragoza M; Collins J; Koes DR
J Comput Aided Mol Des; 2016 Sep; 30(9):761-771. PubMed ID: 27592011
[TBL] [Abstract][Full Text] [Related]
20. Improving the binding affinity estimations of protein-ligand complexes using machine-learning facilitated force field method.
Soni A; Bhat R; Jayaram B
J Comput Aided Mol Des; 2020 Aug; 34(8):817-830. PubMed ID: 32185583
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
